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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/reac_prod_actspec_cyc/sp fs8_l	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3285.7170728; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp fs6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2489.2738624; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1204.79694238; eV
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1204.91482879; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1209.99502951; eV
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1205.69741930; eV
	29-Oct-2025	/reac_prod_actspec_cyc/sp s7_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2787.791693; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s8_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3186.0110985; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s5_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1991.3481393; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp sf2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-896.4051817; Eh

Results 2421-2430 of 2835 (Search time: 0.001 seconds).